1-(4-tert-butylphenyl)-3-(4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-7-yl)urea

Systemtic Name: 1-(4-tert-butylphenyl)-3-(4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-7-yl)urea Openeye Name: 1-(4-tert-butylphenyl)-3-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)urea CAS Name: 1-(4-tert-butylphenyl)-3-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)urea IUPAC Name: 1-(4-tert-butylphenyl)-3-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)urea Traditional Name: 1-(4-tert-butylphenyl)-3-(5-keto-4-methyl-2,3-dihydro-1,4-benzoxazepin-7-yl)urea Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OCCN(C3=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OCCN(C3=O)C

InChI

InChI=1S/C21H25N3O3/c1-21(2,3)14-5-7-15(8-6-14)22-20(26)23-16-9-10-18-17(13-16)19(25)24(4)11-12-27-18/h5-10,13H,11-12H2,1-4H3,(H2,22,23,26)